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<h2>Mode: All-in-one</h2>

<h4>Syntax</h4>

<p><code>atomsk --all-in-one &#60;listfile&#62; &#60;outputfile&#62; [&#60;formats&#62;] [options]</code></p>


<h4>Description</h4>

<p>In this mode, Atomsk will read several files, and write them to a single output file that will contain all the configurations (or snapshots).</p>

<p>The names of the input files must be provided in the <code>&#60;listfile&#62;</code>, a text file with the same format as list files used in <a href="./mode_filelist.html">mode file list</a>. Such a list file can easily be produced e.g. with "<code>ls &#62;mylist.lst</code>".</p>

<p>The output formats supported in this mode are:</p>

<ul>
 <li><strong>Animated XSF</strong> (only "variable-cell animated XSF", see <a href="./format_xsf.html">XSF specifications</a>);</li>
 <li><strong>XYZ</strong>, either normal XYZ or extended XYZ (see <a href="./format_xyz.html">XYZ specifications</a>); the special XYZ format is not supported.</li>
</ul>

<p>Concerning <strong>animated XSF format</strong>, on one hand if forces on atoms exist in the first file of the &#60;listfile&#62; then forces will be written for all snapshots in the final animated XSF file. If forces are missing when reading other files from the &#60;listfile&#62;, then the forces will be set to zero for these snapshots. On the other hand, if forces do not appear in the first file of the &#60;listfile&#62;, then no force will be written at all for any snapshot in the animated XSF file.</p>

<p>When writing to <strong>normal XYZ format</strong>, auxiliary properties are ignored and only atom positions are written. When writing to <strong>extended XYZ format</strong>, all auxiliary properties are conserved and written in the final file.</p>

<p>If several formats are specified, then the multi-snapshot output files will be produced in all these formats.</p>

<p>If you use this mode with one or several <a href="./options.html">options</a>, then these options will be applied to each snapshot before they are written to the <code>outputfile</code>.</p>



<h4>Examples</h4>

<ul>
<li><code class="command">atomsk --all-in-one mylist.lst animation.xsf</code>
<p>This will read files which names are specified in <code>mylist.lst</code>, and output all snapshots to the animated XSF file <code>animation.xsf</code>.</p></li>

<li><code class="command">atomsk --all-in-one mylist.lst snapshots.xyz exyz xsf</code>
<p>This will read files which names are specified in <code>mylist.lst</code>, and output all snapshots to <code>snapshots.xyz</code> (in extended XYZ format), and to the animated XSF file <code>snapshots.xsf</code>.</p></li>
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